Compound Detail
CHEMBL5750643
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c12
Basic Information
| ChEMBL ID | CHEMBL5750643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZUPEOBGVVEOJA-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
6.34
ALogP
7
HBA
2
HBD
109.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 3 CHEMBL1795186 | Ki | 8.85 | 8.43 | 1.4 | 2 |
| Bromodomain-containing protein 2 CHEMBL1293289 | Ki | 8.46 | 8.3267 | 3.5 | 3 |
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 3 | Ki | = | 1.4 | nM | 8.85 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
| Bromodomain-containing protein 2 | Ki | = | 3.5 | nM | 8.46 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
| Bromodomain-containing protein 2 | Ki | = | 4.3 | nM | 8.37 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
| Bromodomain-containing protein 2 | Ki | = | 7.0 | nM | 8.15 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
| Bromodomain-containing protein 3 | Ki | = | 9.7 | nM | 8.01 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
| Bromodomain-containing protein 4 | Ki | = | 12.0 | nM | 7.92 | FP Competitive Binding Assay (No.350): Fluorescence Polarization (FP) competitiv... | - |
Data from ChEMBL 36 via Core Engine